(1S,2R)-2-(3-methoxyphenyl)carbonylcyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(3-methoxyphenyl)carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(3-methoxybenzoyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[(3-methoxyphenyl)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(3-methoxybenzoyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-m-anisoylcyclohexanecarboxylate Formula: C15H17O4- MolecularWeight: 261.29308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C15H18O4/c1-19-11-6-4-5-10(9-11)14(16)12-7-2-3-8-13(12)15(17)18/h4-6,9,12-13H,2-3,7-8H2,1H3,(H,17,18)/p-1/t12-,13+/m1/s1